Vitas-M small molecule compound
methyl (2Z)-2-[3-(acetyloxy)benzylidene]-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798183
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cccc(c1)OC(=O)C)/s2)C(=O)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H24N2O8S MW 536.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O8S/c1-14-23(26(33)35-5)24(18-9-10-20(37-16(3)31)21(13-18)34-4)29-25(32)22(38-27(29)28-14)12-17-7-6-8-19(11-17)36-15(2)30/h6-13,24H,1-5H3/b22-12-InChIKey
OMMKRPTUPJAHJA-UUYOSTAYSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC(=O)C)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1cccc(c1)OC(=O)C)s2)C(=O)OC
InChI=1SC27H24N2O8Sc11423(26(33)355)24(1891020(3716(3)31)21(1318)344)2925(32)22(3827(29)2814)121776819(1117)3615(2)30h61324H15H3b2212
methyl(2Z)2(3(acetyloxy)benzylidene)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)2((3ACETYLOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03461891
ZINC000002665706
ZINC000002665708
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